2-(2-Heptynyl)malonic acid
TL;DR: 2-(2-Heptynyl)malonic acid (CAS 7499-20-9) is a chemical compound with molecular formula C10H14O4 and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hept-2-ynylpropanedioic acid
Also Known As: 2-(2-Heptynyl)malonic acid, 2-hept-2-ynylpropanedioic acid, hept-2-ynyl-malonic acid, MALONIC ACID, (2-HEPTYNYL)-, PROPANEDIOIC ACID, 2-HEPTYNYL-
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 7499-20-9 |
|---|---|
| SMILES | CCCCC#CCC(C(=O)O)C(=O)O |
| InChIKey | AZDWCIKOWAZNJA-UHFFFAOYSA-N |
Product Overview
2-(2-Heptynyl)malonic acid (CAS 7499-20-9), with molecular formula C10H14O4 and molecular weight 198.09 g/mol. IUPAC: 2-hept-2-ynylpropanedioic acid.
Chemical Property Profile of 2-(2-Heptynyl)malonic acid
Property Insights of 2-(2-Heptynyl)malonic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Heptynyl)malonic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Heptynyl)malonic acid. Following Lipinski's Rule of Five, 2-(2-Heptynyl)malonic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-Heptynyl)malonic acid?
The CAS number of 2-(2-Heptynyl)malonic acid is 7499-20-9.
What is the molecular formula of 2-(2-Heptynyl)malonic acid?
The molecular formula of 2-(2-Heptynyl)malonic acid is C10H14O4.
What is the molecular weight of 2-(2-Heptynyl)malonic acid?
The molecular weight of 2-(2-Heptynyl)malonic acid is 198.09 g/mol.
Where can I buy 2-(2-Heptynyl)malonic acid?
You can request a quote for 2-(2-Heptynyl)malonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Heptynyl)malonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Heptynyl)malonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.